4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline

C15H19N3S — CID 70524977

IUPAC4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3S/c16-13-6-4-12(5-7-13)14-11-19-15(17-14)10-18-8-2-1-3-9-18/h4-7,11H,1-3,8-10,16H2
InChIKeyBPKOVYZPYPJERF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.38
Rot. Bonds3

About 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline

4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline (PubChem CID 70524977) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
PubChem CID70524977
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3S/c16-13-6-4-12(5-7-13)14-11-19-15(17-14)10-18-8-2-1-3-9-18/h4-7,11H,1-3,8-10,16H2
InChIKeyBPKOVYZPYPJERF-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline (CID 70524977) is 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline is Nc1ccc(-c2csc(CN3CCCCC3)n2)cc1.
What is the InChIKey of 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is BPKOVYZPYPJERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-13-6-4-12(5-7-13)14-11-19-15(17-14)10-18-8-2-1-3-9-18/h4-7,11H,1-3,8-10,16H2.
What are the key properties of 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline?
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 273.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 70524977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).